General Information of the Compound
| Compound ID |
CP0434578
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| Compound Name |
4-(2,6-dimethylphenylthio)-2-methoxybenzonitrile
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| Synonyms |
4-(2,6-dimethylphenylthio)-2-methoxybenzonitrile
CHEMBL448454
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| Structure |
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| Formula |
C16H15NOS
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| Molecular Weight |
269.369
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| Canonical SMILES |
COc1cc(Sc2c(C)cccc2C)ccc1C#N
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| InChI |
InChI=1S/C16H15NOS/c1-11-5-4-6-12(2)16(11)19-14-8-7-13(10-17)15(9-14)18-3/h4-9H,1-3H3
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| InChIKey |
AAYYOXKEPZBTIZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound